Kinetic Transition Networks for the Thomson Problem and Smale's 7th Problem

Dhagash Mehta; Jianxu Chen; Danny Z. Chen; Halim Kusumaatmaja; David J. Wales

doi:10.1103/physrevlett.117.028301

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arXiv · 1605.08459

Kinetic Transition Networks for the Thomson Problem and Smale's 7th Problem

Dhagash Mehta·Jianxu Chen·Danny Z. Chen·Halim Kusumaatmaja·David J. Wales

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Abstract

The Thomson Problem, arrangement of identical charges on the surface of a sphere, has found many applications in physics, chemistry and biology. Here we show that the energy landscape of the Thomson Problem for $N$ particles with $N=132, 135, 138, 141, 144, 147$ and $150$ is single funnelled, characteristic of a structure-seeking organisation where the global minimum is easily accessible. Algorithmically constructing starting points close to the global minimum of such a potential with spherical constraints is one of Smale's 18 unsolved problems in mathematics for the 21st century because it is important in the solution of univariate and bivariate random polynomial equations. By analysing the kinetic transition networks, we show that a randomly chosen minimum is in fact always `close' to the global minimum in terms of the number of transition states that separate them, a characteristic of small world networks.

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Dhagash Mehta, Jianxu Chen, Danny Z. Chen, Halim Kusumaatmaja, David J. Wales. 2016-06-08. Kinetic Transition Networks for the Thomson Problem and Smale's 7th Problem. https://doi.org/10.1103/physrevlett.117.028301

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